Spin polaron in a chiral molecule with an all quantum model.

J Phys Condens Matter

School of Physics, Shandong University, Ji'nan 250100, People's Republic of China.

Published: April 2025


Category Ranking

98%

Total Visits

921

Avg Visit Duration

2 minutes

Citations

20

Article Abstract

Recently, the chiral induced spin selectivity (CISS) has been demonstrated in different systems such as DNA, proteins, bacteriorhodopsin, helicene and other chiral molecules. In this phenomenon, the spin of the carriers will couple with the chirality of the system and exhibit special transport properties. The explanation of the mechanisms of CISS is still under debating, but it generally accepted that the chirality-induced spin-orbit coupling and the environment play pivotal roles. In addition, in such systems with strong electron-phonon coupling, the moving electrons and holes would interact with phonons to construct polarons as carriers. Therefore, to understand CISS it is needed to focus on the spin-related transport of the polarons. In this paper, we investigate the spin-charge property of a carrier in a chiral helix molecule described with an all-quantum model. Both the extended electron and bound states are obtained analytically. Our findings indicate that the spin and momentum of these carriers are locked, with the nature of this coupling being dictated by the chirality of the system. This work provides valuable insights for theoretical investigations into nonlinear equations and contributes to a deeper understanding of chiral carriers in the context of the CISS effect. Our solution is instructive for theoretical investigation on nonlinear excitations and our results shed new light on the chiral carriers to understand CISS effect.

Download full-text PDF

Source
http://dx.doi.org/10.1088/1361-648X/adc4a7DOI Listing

Publication Analysis

Top Keywords

chirality system
8
carriers understand
8
understand ciss
8
chiral carriers
8
chiral
6
ciss
5
carriers
5
spin
4
spin polaron
4
polaron chiral
4

Similar Publications

Using angle-resolved photoemission spectroscopy (ARPES) with spin resolution, scanning tunneling microscopy/spectroscopy (STM/STS) and density functional theory (DFT) methods, we study the electronic structure of graphene-covered and bare Au/Co(0001) systems and reveal intriguing features, arising from the ferrimagnetic order in graphene and the underlying gold monolayer. In particular, a spin-polarized Dirac-cone-like state, intrinsically related to the induced magnetization of Au, was discovered at point. We have obtained a good agreement between experiment and theory for bare and graphene-covered Au/Co(0001) and have proven that both Au ferrimagnetism and the Dirac-cone-like band are intimately linked to the triangular loop dislocations present at the Au/Co interface.

View Article and Find Full Text PDF

Transient Induction of Chirality from an Activated Carboxylic Acid to a Zinc Complex.

Angew Chem Int Ed Engl

September 2025

Dipartimento di Chimica and Istituto CNR per i Sistemi Biologici (ISB-CNR), Sezione Meccanismi di Reazione, c/o Dipartimento di Chimica, Università di Roma "La Sapienza", P.le A. Moro 5, Rome, I-00185, Italy.

Enantiomerically pure activated carboxylic acids (ACAs), (R)- and (S)-2-cyano-2-phenylpropanoic acids, are exploited to program the induction of chirality onto a zinc metal complex over time. NMR analysis shows that binding of the enantiopure ACA conjugate base to the Zn center breaks the symmetry of the complex and induces the formation of a single diastereoisomeric metal complex. Such a diastereoisomer is present only as long as the ACA is found in solution, and the ACA loading determines the time interval in which it persists in solution.

View Article and Find Full Text PDF

Ubiquitous Chiral Symmetry Breaking of Conjugated Polymers via Liquid-Liquid Phase Separation.

J Am Chem Soc

September 2025

Department of Chemical and Biomolecular Engineering, Department of Chemistry, Department of Materials Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois Urbana-Champaign,Urbana, Illinois 61801, United States.

Spontaneous chiral symmetry breaking remains a fascination in chemistry, biology, materials science, and even astronomy. Chiral symmetry breaking usually requires intrinsic molecular chirality or extrinsic chiral sources but remains rare in nonchiral systems. Here, we reveal a ubiquitous, entropy-driven chiral symmetry breaking mechanism observed in 22 out of 35 conjugated polymers in the absence of any chiral source─a phenomenon overlooked for decades.

View Article and Find Full Text PDF

Advances in the Catalytic Asymmetric Synthesis of Chiral α-Aryl Ketones.

Chem Rec

September 2025

Department of Chemistry, St. Thomas College Palai, Arunapuram P.O., Kottayam, Kerala, 686574, India.

An α-aryl-substituted enantioenriched ketone is a valuable building block for the production of both natural and medicinal compounds. Research into their asymmetric synthesis can be challenging yet rewarding because of the need to control regio-, chemo-, and enantioselectivity carefully. A wide range of catalytic strategies has been developed during the past three decades to gain access to these favored motifs.

View Article and Find Full Text PDF

With the goal of manipulating (bio)chemical processes, photoswitches emerge as important assets in molecular nanotechnology. To guide synthetic strategies toward increasingly more efficient systems, conformational dynamics studies performed with atomic rigor are in demand, particularly if this information can be extracted with control over the size of a perturbing solvation layer. Here, we use jet-cooled rotational spectroscopy and quantum chemistry calculations to unravel the structure and micro-hydration dynamics of a prototype photoswitch.

View Article and Find Full Text PDF